5-methoxy-2-methylnon-2-enal

C11H20O2 — CID 91411338

IUPAC5-methoxy-2-methylnon-2-enal
SMILESCCCCC(CC=C(C)C=O)OC
InChIInChI=1S/C11H20O2/c1-4-5-6-11(13-3)8-7-10(2)9-12/h7,9,11H,4-6,8H2,1-3H3
InChIKeyVGKPGFFXACFKFW-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.73
Rot. Bonds7

About 5-methoxy-2-methylnon-2-enal

5-methoxy-2-methylnon-2-enal (PubChem CID 91411338) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-methoxy-2-methylnon-2-enal.

Molecular Properties

Compound Name5-methoxy-2-methylnon-2-enal
PubChem CID91411338
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name5-methoxy-2-methylnon-2-enal
SMILESCCCCC(CC=C(C)C=O)OC
InChIInChI=1S/C11H20O2/c1-4-5-6-11(13-3)8-7-10(2)9-12/h7,9,11H,4-6,8H2,1-3H3
InChIKeyVGKPGFFXACFKFW-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-methoxy-2-methylnon-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-Methyl-2-nonenal
CID 10997259
(E)-5-hydroxy-2-methylundec-2-enal
CID 11769481
2-Methylnon-2-enal
CID 12469131
(E)-5-methoxy-2,7-dimethyloct-2-enal
CID 87290944
(E)-5-methoxy-2,3-dimethyloct-2-enal
CID 87291019
5-Methoxy-3,4-dimethyloct-2-enal
CID 87291335
(E)-5-methoxy-2,5-dimethyloct-2-enal
CID 87291410
5-Methoxy-3,7-dimethyloct-2-enal
CID 87292010
(2e)-6-Hydroperoxy-3,7-dimethylocta-2,7-dienal
CID 129739418
(R,E)-6-methyl-8-oxooct-6-en-4-yl acetate
CID 163319749
4-Methoxy-2-methyl-2-octenal
CID 13524514
4-Methoxy-2-methyloct-2-enal
CID 155908354

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methylnon-2-enal?
The IUPAC name of 5-methoxy-2-methylnon-2-enal (CID 91411338) is 5-methoxy-2-methylnon-2-enal.
What is the SMILES notation for 5-methoxy-2-methylnon-2-enal?
The canonical SMILES for 5-methoxy-2-methylnon-2-enal is CCCCC(CC=C(C)C=O)OC.
What is the InChIKey of 5-methoxy-2-methylnon-2-enal?
The InChIKey is VGKPGFFXACFKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-6-11(13-3)8-7-10(2)9-12/h7,9,11H,4-6,8H2,1-3H3.
What are the key properties of 5-methoxy-2-methylnon-2-enal?
5-methoxy-2-methylnon-2-enal has a molecular weight of 184.28 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methylnon-2-enal is sourced from PubChem (CID 91411338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).